3-(4-chlorophenyl)-2-[5-(4-nitrophenyl)furan-2-yl]-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile

Systemtic Name: 3-(4-chlorophenyl)-2-[5-(4-nitrophenyl)furan-2-yl]-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 3-(4-chlorophenyl)-2-[5-(4-nitrophenyl)-2-furyl]-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 3-(4-chlorophenyl)-4-mercapto-2-[5-(4-nitrophenyl)-2-furanyl]-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 3-(4-chlorophenyl)-2-[5-(4-nitrophenyl)furan-2-yl]-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 3-(4-chlorophenyl)-6-keto-4-mercapto-2-[5-(4-nitrophenyl)-2-furyl]-1,2-dihydropyrimidine-5-carbonitrile Formula: C21H13ClN4O4S MolecularWeight: 452.87032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(O2)C3NC(=O)C(=C(N3C4=CC=C(C=C4)Cl)S)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(O2)C3NC(=O)C(=C(N3C4=CC=C(C=C4)Cl)S)C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H13ClN4O4S/c22-13-3-7-14(8-4-13)25-19(24-20(27)16(11-23)21(25)31)18-10-9-17(30-18)12-1-5-15(6-2-12)26(28)29/h1-10,19,31H,(H,24,27)